D0G9FF Wcorina 11010620263D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 49 52 0 0 0 999 V2000 0.0161 1.2681 0.0082 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0607 0.0529 0.0287 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0485 3.1723 0.4800 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0465 3.1661 -0.7265 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0186 2.5190 -1.2138 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2635 2.0501 -0.0331 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0115 2.5239 1.0151 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7200 2.3462 2.4829 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6835 2.3036 -2.6426 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9642 3.2925 -3.5837 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6554 3.0843 -4.9126 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0683 1.8969 -5.3111 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7870 0.9121 -4.3813 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0919 1.1092 -3.0498 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1748 1.8990 0.0176 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4324 1.1372 0.0526 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2983 1.6793 1.1947 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4559 3.1315 1.0387 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1636 3.8220 1.1435 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2512 3.3677 -0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3712 3.6384 1.9652 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7138 3.2871 1.8820 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6146 3.7858 2.8034 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1817 4.6332 3.8071 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8472 4.9841 3.8922 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9408 4.4893 2.9744 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1494 5.1660 4.7921 N 0 3 0 0 0 0 0 0 0 0 0 0 -8.3255 4.8580 4.7182 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7697 5.9123 5.6766 O 0 5 0 0 0 0 0 0 0 0 0 0 -6.2577 2.2240 0.6220 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.1963 1.4332 2.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1101 3.2001 3.0368 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6427 2.2769 2.6336 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4223 4.2201 -3.2736 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8722 3.8500 -5.6427 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8283 1.7382 -6.3521 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3279 -0.0127 -4.6979 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8721 0.3396 -2.3248 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9590 1.2561 -0.8943 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2171 0.0827 0.2251 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2779 1.2021 1.1666 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8167 1.4662 2.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3202 4.8988 1.0783 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6977 3.5791 2.0985 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2548 3.7879 0.1365 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6642 3.7011 -0.9528 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6579 3.5139 2.7395 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5128 5.6464 4.6771 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8985 4.7638 3.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 1 15 1 0 0 0 0 3 4 1 0 0 0 0 3 7 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 34 1 0 0 0 0 11 12 1 0 0 0 0 11 35 1 0 0 0 0 12 13 2 0 0 0 0 12 36 1 0 0 0 0 13 14 1 0 0 0 0 13 37 1 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 18 19 1 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 30 1 0 0 0 0 23 24 1 0 0 0 0 23 47 1 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 48 1 0 0 0 0 26 49 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 M CHG 2 27 1 29 -1 M END $$$$